2,4,5-trichloro-N-[(Z)-(2,4-dichlorophenyl)methylideneamino]benzenesulfonamide
Formula:C13H7N2O2Cl5S
Mutagenic:high
Tumorigenic:high
Reproductive Effective:high
2,4,5-trichloro-N-[(Z)-(2,4-dichlorophenyl)methylideneamino]benzenesulfonamide is not a drug-like molecule.
| MolName | 2,4,5-trichloro-N-[(Z)-(2,4-dichlorophenyl)methylideneamino]benzenesulfonamide |
| MolecularFormula | C13H7N2O2Cl5S |
| Smiles | O=S(c(c(Cl)c1)cc(Cl)c1Cl)(N/N=C\c(ccc(Cl)c1)c1Cl)=O |
| InChI | InChI=1S/C13H7Cl5N2O2S/c14-8-2-1-7(9(15)3-8)6-19-20-23(21,22)13-5-11(17)10(16)4-12(13)18/h1-6,20H |
| InChIK | DWTDAHZAAFLAKG-UHFFFAOYSA-N |
| TotalMolweight | 432.542 |
| Molweight | 432.542 |
| MonoisotopicMass | 429.867083 |
| CLogP | 5.3071 |
| CLogS | -5.596 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 274.92 |
| Relative PSA | 0.18751 |
| PolarSurfaceArea | 66.91 |
| Druglikeness | 3.3552 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | high |
| Nasty Functions | imine/hydrazone of aldehyde; polyhalo aromatic ring |
| Shape Index | 0.6087 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 3 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 1 |
| Symmetricatoms | 1 |
| StereoCon |
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